SCHEMBL8940394

SCHEMBL8940394

N=Nc1ccc2c(c1)C(=O)OC2=O

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
ALDH1A1 P00352 1/20 0.44
TYMS P04818 4/20 0.39
CA12 O43570 4/20 0.33
CA7 P43166 4/20 0.33
CA1 P00915 3/20 0.33
CA4 P22748 2/20 0.33
CA2 P00918 1/20 0.31
CA9 Q16790 1/20 0.31
CYP2C19 P33261 1/20 0.31
GSK3B P49841 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL10339047 0.83 ALOX15 (0.50) ALOX15TDP1ALDH1A1TYMSCA12
SCHEMBL9611209 0.83 ALOX15 (0.50) ALOX15TDP1ALDH1A1TYMSCA12
SCHEMBL12559908 0.81 TDP1 (0.48) ALOX15TDP1ALDH1A1TYMSCA12
SCHEMBL9480950 0.76 TDP1 (0.46) ALOX15TDP1ALDH1A1TYMSCA12
SCHEMBL22852540 0.76 CYP2C19 (0.44) TDP1ALDH1A1CYP2C19
SCHEMBL17506045 0.75 CYP2C19 (0.53) ALOX15TDP1ALDH1A1CYP2C19
SCHEMBL9064366 0.75 MIF (0.42) ALOX15TDP1ALDH1A1TYMSCA1
Phthalic Anhydride SCHEMBL4754642 0.74 TDP1 (0.47) ALOX15TDP1ALDH1A1TYMS
SCHEMBL16640716 0.73 TDP1 (0.40) ALOX15TDP1ALDH1A1TYMSCA12
SCHEMBL169305 0.70 ALOX15 (0.57) ALOX15TDP1ALDH1A1TYMSCA12

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5532328-A Process for the preparation of a polymer DSM N.V. (NL) 1996-07-02 US claimed
EP-0633903-A1 PROCESS FOR THE PREPARATION OF A POLYMER FROM A HETEROCYCLIC MONOMER DSM N.V. (NL) 1995-01-18 EP claimed
WO-1994017120-A1 PROCESS FOR THE PREPARATION OF A POLYMER FROM A HETEROCYCLIC MONOMER DSM N.V. (NL) 1994-08-04 WO claimed
US-5532328-A Process for the preparation of a polymer DSM N.V. (NL) 1996-07-02 US disclosed
EP-0633903-A1 PROCESS FOR THE PREPARATION OF A POLYMER FROM A HETEROCYCLIC MONOMER DSM N.V. (NL) 1995-01-18 EP disclosed
WO-1994017120-A1 PROCESS FOR THE PREPARATION OF A POLYMER FROM A HETEROCYCLIC MONOMER DSM N.V. (NL) 1994-08-04 WO disclosed